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CAS 2627-69-2 5-Aminoimidazole-4-carboxamide 1-β-D-Ribofuranoside molecular structure lightbox
CAS RN: 2627-69-2

5-Aminoimidazole-4-carboxamide 1-β-D-Ribofuranoside

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260606 1g In stock Inquiry
Batchno.20260402 250mg In stock Inquiry
Batchno.20260514 50mg In stock Inquiry
  • Product code: ICTA2528
  • Purity/Analytical Methods: >98.0%(HPLC)
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2627-69-2 / 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide

Standard CAS: 2627-69-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2627-69-2
Multi CAS
No
Molecular Formula
C9H14N4O5
Molecular Weight
258.230000
Exact Mass
258.096420
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)N
InChI
InChI=1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
InChIKey
RTRQQBHATOEIAF-UUOKFMHZSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
5
Molar refractivity
58.17
TPSA
156.85

LogP / Solubility

WLOGP
-2.82
MLOGP
-2.48
XLogP3
-2.2
Consensus LogP
-2.5
Log S (ESOL)
0.33
Class (ESOL)
Highly soluble
Log S (Ali)
0.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.65
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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